Glycoside
GD109539
Name:
NoneFormula:
C40H60O8N4Smiles:
O=C(O[C@@H](CN1CCCc2ccccc21)C[NH+]1CCCCC1)[C@H](O)[C@H](O)[C@@](O)(CO)C(=O)O[C@H](CN1CCCc2ccccc21)C[NH+]1CCCCC1Aglycone:
c1ccc2c(c1)CCCN2CCC[NH+]1CCCCC1.c1ccc2c(c1)CCCN2CCC[NH+]1CCCCC1Sugarmoiety:
O=C(OO)C(O)C(O)C(O)(CO)C(=O)OOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.65 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 15 |
| MolWt: | 724.94 | Num_heavy_atoms: | 52 |
| TPSA: | 148.88 | NumAromaticRings: | 2 |
Unique Aglycone
AD44549
Formula: C17H27N2
Smiles:
c1ccc2c(c1)CCCN2CCC[NH+]1CCCCC1| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 4 |
| MolWt: | 259.42 | Num_heavy_atoms: | 19 |
| TPSA: | 7.68 | NumAromaticRings: | 1 |
